#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/34/2013416.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2013416_Fobs loop_ _publ_author_name 'Wehbe, Johny' 'Rolland, Val\'erie' 'Martinez, Jean' 'Rolland, Marc' _publ_section_title ; An intermediate in a new synthesis approach to \b-substituted \b-hydroxyaspartame ; _journal_issue 8 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first o473 _journal_page_last o475 _journal_volume 59 _journal_year 2003 _space_group_IT_number 4 _symmetry_space_group_name_Hall 'P 2yb' _symmetry_space_group_name_H-M 'P 1 21 1' _[local]_cod_data_source_file dn1023IIbsup2.hkl _[local]_cod_data_source_block IIb loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_F_squared_sigma 0 0 3 481.5 504.1 6.6 0 0 4 261.5 349.5 3.4 0 0 5 69.7 63.3 1.1 0 0 6 707.2 783.2 9.4 0 0 7 239.0 235.9 3.6 0 0 8 11.2 8.4 0.8 0 0 9 147.6 149.5 2.5 0 0 10 97.5 77.2 1.9 0 0 11 31.3 43.7 1.4 0 0 12 -3.4 0.3 1.4 0 0 13 -1.6 0.5 1.0 0 1 3 353.0 393.6 3.4 0 1 4 2583.4 2420.1 26.8 0 1 5 1381.3 1371.0 13.1 0 1 6 640.8 568.1 6.0 0 1 7 134.3 160.6 1.5 0 1 8 243.5 264.5 2.8 0 1 9 15.5 15.0 0.8 0 1 10 25.1 23.2 0.9 0 1 11 29.8 26.0 1.0 0 1 12 12.1 13.5 0.9 0 1 13 -2.2 0.3 0.9 0 2 1 1355.3 1429.6 21.5 0 2 2 911.9 865.7 12.3 0 2 3 2248.3 2069.9 25.4 0 2 4 705.2 854.5 6.8 0 2 5 306.2 268.4 3.0 0 2 6 929.3 964.9 9.2 0 2 7 284.6 275.3 2.9 0 2 8 38.1 44.2 0.8 0 2 9 5.9 4.4 0.7 0 2 10 106.6 97.3 1.6 0 2 11 2.8 1.0 0.9 0 2 12 4.1 5.1 1.1 0 2 13 2.8 2.6 1.0 0 3 1 433.2 350.2 5.2 0 3 2 4116.3 4404.7 62.7 0 3 3 532.3 497.3 5.8 0 3 4 840.1 868.2 9.4 0 3 5 1502.3 1408.1 17.6 0 3 6 356.5 329.3 4.0 0 3 7 90.3 100.9 1.2 0 3 8 145.8 151.0 1.9 0 3 9 96.3 80.6 1.4 0 3 10 31.2 32.1 0.8 0 3 11 11.8 11.6 0.8 0 3 12 5.6 2.4 1.3 0 3 13 0.2 4.4 1.0 0 4 0 4122.9 4038.2 76.2 0 4 1 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